19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C58H36N2O — CID 129128891

About 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 129128891) has the molecular formula C58H36N2O and a molecular weight of 776.94 g/mol. Its IUPAC name is 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

• Compound Name: 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
• PubChem CID: 129128891
• Molecular Formula: C58H36N2O
• Molecular Weight: 776.94 g/mol
• Exact Mass: 776.28
• IUPAC Name: 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7ccccc67)nc6c5oc5c7ccccc7c7ccccc7c65)c4)c3)c2)cc1
• InChI: InChI=1S/C58H36N2O/c1-3-16-37(17-4-1)44-34-45(38-18-5-2-6-19-38)36-46(35-44)42-24-13-22-40(32-42)41-23-14-25-43(33-41)54-57-55(60-58(59-54)52-31-15-21-39-20-7-8-26-47(39)52)53-50-29-11-9-27-48(50)49-28-10-12-30-51(49)56(53)61-57/h1-36H
• InChIKey: OPBBSSMOKORQOT-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.94
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

The IUPAC name of 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 129128891) is 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

What is the SMILES notation for 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

The canonical SMILES for 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7ccccc67)nc6c5oc5c7ccccc7c7ccccc7c65)c4)c3)c2)cc1.

What is the InChIKey of 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

The InChIKey is OPBBSSMOKORQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O/c1-3-16-37(17-4-1)44-34-45(38-18-5-2-6-19-38)36-46(35-44)42-24-13-22-40(32-42)41-23-14-25-43(33-41)54-57-55(60-58(59-54)52-31-15-21-39-20-7-8-26-47(39)52)53-50-29-11-9-27-48(50)49-28-10-12-30-51(49)56(53)61-57/h1-36H.

What are the key properties of 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 776.94 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17-naphthalen-1-yl-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 129128891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).